Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4679650

CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1cccc(NC(=O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
EPHX2 P34913 1/20 0.38
CCKBR P32239 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAX8 Q06710 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGES O14684 1/20 0.37
RGS12 O14924 1/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
PPARA Q07869 1/20 0.36
F2R P25116 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL4685732 0.92 KMT2A (0.44) KMT2AMEN1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4678229 0.91 ACKR3 (0.43) UBE2MDCUN1D1EPHX2LMNA
SCHEMBL4682972 0.91 PPARA (0.40) KMT2AMEN1SMN1; SMN2CYP2C19LMNA
SCHEMBL4679962 0.90 ACKR3 (0.45) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4679955 0.90 ACKR3 (0.45) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4678644 0.90 CYP2C19 (0.41) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL4682704 0.89 NR1H4 (0.42) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL4679674 0.89 ACKR3 (0.46) SMN1; SMN2
SCHEMBL4680425 0.89 NPC1 (0.40) KMT2AMEN1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4683523 0.89 ACKR3 (0.41) KMT2AMEN1SMN1; SMN2LMNAPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058680-B1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-6319920-B1 MUSCARINIC RECEPTOR ANTAGONIST USED IN GASTROINTESTINAL, GENITOURINARY TRACT, RESPIRATORY TRACT, CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM DISORDERS AND IN ANESTHESIOLOGY AND OPHTHALMOLOGY SYNTEX (U.S.A.) LLC 2001-11-20 US disclosed